IBS-ZINC02419734 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0290 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.1840 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 3.5850 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 4.4280 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 5.8020 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3310 6.6600 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6290 6.1470 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 4.7650 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7460 3.9130 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7880 7.0630 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7170 8.3690 -0.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9810 8.8720 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8460 7.7890 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0800 6.6820 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2230 7.8360 -0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9980 6.5930 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4920 6.9240 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3020 5.6260 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7320 5.9430 -0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5350 6.1130 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7700 6.3900 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7220 6.3880 -0.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5060 6.1160 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3480 10.2570 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6390 11.3550 -0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -0.8180 -0.0380 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 1.9250 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 1.9340 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 6.1980 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 7.7280 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8320 4.3640 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 2.8440 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6790 8.6920 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7630 6.0090 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7460 6.0170 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7270 7.5090 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7440 7.5000 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0660 5.0420 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0500 5.0500 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2360 6.0410 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6450 6.5800 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1730 6.0430 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 28 51 1 0 0 0 0 29 30 3 0 0 0 0 M END